(6Z)-6-(tributylstannylmethylidene)-1,4-oxazepan-5-one

C18H35NO2Sn — CID 177482261

IUPAC(6Z)-6-(tributylstannylmethylidene)-1,4-oxazepan-5-one
SMILESCCCC[Sn](/C=C1/COCCNC1=O)(CCCC)CCCC
InChIInChI=1S/C6H8NO2.3C4H9.Sn/c1-5-4-9-3-2-7-6(5)8;3*1-3-4-2;/h1H,2-4H2,(H,7,8);3*1,3-4H2,2H3;
InChIKeyCSTFQBMJCSJXAM-UHFFFAOYSA-N
MW416.19 g/mol
LogP4.45
Rot. Bonds10

About (6Z)-6-(tributylstannylmethylidene)-1,4-oxazepan-5-one

(6Z)-6-(tributylstannylmethylidene)-1,4-oxazepan-5-one (PubChem CID 177482261) has the molecular formula C18H35NO2Sn and a molecular weight of 416.19 g/mol. Its IUPAC name is (6Z)-6-(tributylstannylmethylidene)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name(6Z)-6-(tributylstannylmethylidene)-1,4-oxazepan-5-one
PubChem CID177482261
Molecular FormulaC18H35NO2Sn
Molecular Weight416.19 g/mol
Exact Mass417.17
IUPAC Name(6Z)-6-(tributylstannylmethylidene)-1,4-oxazepan-5-one
SMILESCCCC[Sn](/C=C1/COCCNC1=O)(CCCC)CCCC
InChIInChI=1S/C6H8NO2.3C4H9.Sn/c1-5-4-9-3-2-7-6(5)8;3*1-3-4-2;/h1H,2-4H2,(H,7,8);3*1,3-4H2,2H3;
InChIKeyCSTFQBMJCSJXAM-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.19
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-(tributylstannylmethylidene)azepan-2-one
CID 177475132
(3Z)-1-propyl-3-(tributylstannylmethylidene)pyrrolidin-2-one
CID 177469313
[(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane
CID 177489225
2-pentylidenethiomorpholin-3-one
CID 67763937
5-methyl-1-[(E)-2-tributylstannylethenyl]-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione
CID 118990264
(4Z)-6,7-dimethoxy-4-pentylidene-1H-isochromene-5,8-dione
CID 10424422
2-pentylidene-1,3-oxazolidine
CID 174633347
(4S,5S,6Z,7S,11S)-5-hydroxy-6-(tributylstannylmethylidene)-3-oxa-1-azatricyclo[5.3.1.04,11]undecan-2-one
CID 11155948
trimethyl-[(Z)-[(4Z)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane
CID 177387514
(5Z)-N-phenyl-5-(tributylstannylmethylidene)-3,4-dihydro-2H-pyridin-6-amine
CID 177390546
morpholine;tetrabutylazanium
CID 174955494
trimethyl-[(Z)-2-tributylstannylethenyl]silane
CID 12516692

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(tributylstannylmethylidene)-1,4-oxazepan-5-one?
The IUPAC name of (6Z)-6-(tributylstannylmethylidene)-1,4-oxazepan-5-one (CID 177482261) is (6Z)-6-(tributylstannylmethylidene)-1,4-oxazepan-5-one.
What is the SMILES notation for (6Z)-6-(tributylstannylmethylidene)-1,4-oxazepan-5-one?
The canonical SMILES for (6Z)-6-(tributylstannylmethylidene)-1,4-oxazepan-5-one is CCCC[Sn](/C=C1/COCCNC1=O)(CCCC)CCCC.
What is the InChIKey of (6Z)-6-(tributylstannylmethylidene)-1,4-oxazepan-5-one?
The InChIKey is CSTFQBMJCSJXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO2.3C4H9.Sn/c1-5-4-9-3-2-7-6(5)8;3*1-3-4-2;/h1H,2-4H2,(H,7,8);3*1,3-4H2,2H3;.
What are the key properties of (6Z)-6-(tributylstannylmethylidene)-1,4-oxazepan-5-one?
(6Z)-6-(tributylstannylmethylidene)-1,4-oxazepan-5-one has a molecular weight of 416.19 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(tributylstannylmethylidene)-1,4-oxazepan-5-one is sourced from PubChem (CID 177482261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).